SCHEMBL1822962

SCHEMBL1822962

CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1Cl

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.67
HRH3 Q9Y5N1 1/20 0.57
AKR1C3 P42330 8/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL604932 0.80 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2
SCHEMBL6153659 0.79 HRH4 (0.76) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL26490547 0.78 HRH4 (0.70) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL604296 0.78 HRH4 (1.00) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL7710603 0.76 AKR1C3 (0.69) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL2350768 0.76 HRH4 (0.78) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL4457694 0.76 HRH4 (0.70) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL4477180 0.76 HRH4 (0.70) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL4327043 0.76 HRH4 (0.63) HRH4HRH3AKR1C3POLBSMN1; SMN2
SCHEMBL8984734 0.76 HRH4 (0.71) HRH4HRH3AKR1C3POLBSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315521-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR Janssen Pharmaceutica NV (BE) 2011-05-04 EP disclosed
WO-2009152325-A1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 WO disclosed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed